rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0926 |
| Compound Name: | rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 389.88 |
| Molecular Formula: | C13 H16 Cl N5 O3 S2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)S(c2ccc(s2)[Cl])(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6334 |
| logD: | 0.6329 |
| logSw: | -2.6374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.434 |
| InChI Key: | FXEWBSGMCRWIGL-RKDXNWHRSA-N |